N-[4-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[4-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[4-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide CAS Name: N-[4-[[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[4-[[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-4-tert-butylbenzamide Traditional Name: N-[4-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-4-tert-butyl-benzamide Formula: C27H26BrClN4O4S MolecularWeight: 617.94174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C27H26BrClN4O4S/c1-27(2,3)18-8-4-16(5-9-18)24(35)30-20-11-6-17(7-12-20)25(36)32-33-26(38)31-23(34)15-37-22-13-10-19(28)14-21(22)29/h4-14H,15H2,1-3H3,(H,30,35)(H,32,36)(H2,31,33,34,38)